#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uul n GLU 5 N 0.00 0.00 -3.04 1.61 0.28 -1.17 -4.37 120.64 113.95 1uul n GLU 5 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 1uul n GLU 5 Cb 0.00 -0.92 -0.06 0.00 1.43 0.00 0.00 31.44 31.89 1uul n GLU 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uul s ALA 6 N -0.45 3.32 0.05 -1.84 0.00 -1.13 -4.77 121.76 116.93 1uul s ALA 6 Ca 0.00 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.92 1uul s ALA 6 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1uul s ALA 6 CO 0.00 -1.86 -0.18 -1.21 0.00 0.00 0.00 175.76 172.51 1uul s GLU 7 N 3.05 2.03 0.41 0.00 2.02 -1.26 -5.02 118.70 119.93 1uul s GLU 7 Ca 0.26 -1.00 -0.26 0.00 0.02 0.00 0.00 54.97 53.98 1uul s GLU 7 Cb -0.13 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 31.84 1uul s GLU 7 CO 0.21 0.53 1.37 -0.51 0.02 0.00 0.00 175.26 176.88 1uul s ASP 8 N -1.50 6.20 -0.65 -0.19 1.01 -1.26 -2.69 116.67 117.58 1uul s ASP 8 Ca 0.15 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.20 1uul s ASP 8 Cb -0.10 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1uul s ASP 8 CO 0.06 -0.94 0.00 0.18 0.21 0.00 0.00 175.17 174.67 1uul n LEU 9 N 0.10 -0.35 -4.37 1.23 7.99 0.13 -4.93 117.00 116.81 1uul n LEU 9 Ca 0.04 0.15 -0.23 0.00 -0.01 0.00 0.00 56.01 55.96 1uul n LEU 9 Cb 0.42 -1.39 -0.11 0.00 -0.11 0.00 0.00 43.42 42.23 1uul n LEU 9 CO 0.58 -0.42 -0.49 -1.00 -1.51 0.00 0.00 177.39 174.55 1uul s HIS 10 N -2.13 1.96 0.17 -1.77 3.76 -1.10 -4.89 115.29 111.30 1uul s HIS 10 Ca 0.00 -0.44 -0.33 0.00 -0.15 0.00 0.00 55.06 54.13 1uul s HIS 10 Cb 0.00 -0.95 -0.14 0.00 1.11 0.00 0.00 32.58 32.60 1uul s HIS 10 CO 0.00 0.41 1.50 -0.35 -0.85 0.00 0.00 174.74 175.45 1uul n PRO 11 N 0.12 2.00 -1.79 8.40 -0.04 -1.26 -1.37 135.00 141.06 1uul n PRO 11 Ca -0.12 0.72 -0.39 0.00 -0.04 0.00 0.00 63.50 63.68 1uul n PRO 11 Cb 0.57 -2.44 0.04 0.00 -0.04 0.00 0.00 33.50 31.63 1uul n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uul s ALA 12 N 0.59 2.91 0.10 0.55 0.00 0.53 -4.77 121.76 121.67 1uul s ALA 12 Ca 0.76 1.36 -0.33 0.00 0.00 0.00 0.00 51.96 53.75 1uul s ALA 12 Cb -0.70 -3.57 -0.13 0.00 0.00 0.00 0.00 23.12 18.72 1uul s ALA 12 CO 0.42 -1.33 1.72 -2.30 0.00 0.00 0.00 175.76 174.27 1uul n PRO 13 N -0.85 2.35 -2.60 0.00 -0.02 -1.26 -4.91 135.00 127.71 1uul n PRO 13 Ca 0.09 0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 62.02 1uul n PRO 13 Cb 0.44 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 1uul n PRO 13 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1uul s ASP 14 N 2.06 7.37 0.17 2.55 2.15 -1.26 -5.03 116.67 124.69 1uul s ASP 14 Ca 0.82 1.98 0.06 0.00 0.43 0.00 0.00 52.55 55.84 1uul s ASP 14 Cb -0.62 -2.60 -0.05 0.00 -0.30 0.00 0.00 42.92 39.35 1uul s ASP 14 CO 0.40 -0.14 -0.12 0.72 -0.17 0.00 0.00 175.17 175.86 1uul s PHE 15 N -0.23 1.47 -0.45 -5.34 -0.12 -1.26 -5.01 117.98 107.05 1uul s PHE 15 Ca 0.48 -0.67 0.07 0.00 -0.05 0.00 0.00 56.93 56.76 1uul s PHE 15 Cb -0.27 -0.71 0.18 0.00 -0.63 0.00 0.00 43.02 41.59 1uul s PHE 15 CO 0.33 0.21 0.64 1.21 -0.05 0.00 0.00 175.22 177.56 1uul s ASN 16 N -3.22 -1.29 0.32 1.98 2.47 -1.26 -1.46 114.94 112.49 1uul s ASN 16 Ca 0.19 -1.21 0.04 0.00 0.42 0.00 0.00 52.86 52.30 1uul s ASN 16 Cb 0.01 1.81 -0.06 0.00 -1.45 0.00 0.00 41.25 41.56 1uul s ASN 16 CO 0.03 -0.13 0.05 -0.70 -3.72 0.00 0.00 177.10 172.63 1uul s GLU 17 N 1.44 1.64 0.32 0.43 -6.30 -0.81 -4.86 118.70 110.56 1uul s GLU 17 Ca 0.21 -1.90 -0.29 0.00 -2.50 0.00 0.00 54.97 50.49 1uul s GLU 17 Cb -0.03 -0.86 -0.10 0.00 0.00 0.00 0.00 34.13 33.14 1uul s GLU 17 CO -0.06 -0.18 1.25 0.99 0.02 0.00 0.00 175.26 177.28 1uul s THR 18 N -3.30 2.92 0.08 -1.70 2.01 -1.26 -0.09 115.64 114.29 1uul s THR 18 Ca 0.36 0.92 0.02 0.00 0.31 0.00 0.00 61.69 63.30 1uul s THR 18 Cb 0.09 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1uul s THR 18 CO 0.15 0.21 -0.08 0.00 -0.69 0.00 0.00 174.62 174.22 1uul s ALA 19 N -1.16 0.85 -0.34 7.40 0.00 0.97 -1.29 121.76 128.20 1uul s ALA 19 Ca 0.48 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.10 1uul s ALA 19 Cb -0.37 0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1uul s ALA 19 CO 0.49 -0.13 0.78 -1.17 0.00 0.00 0.00 175.76 175.74 1uul s LEU 20 N -2.42 4.11 0.42 0.00 2.96 -0.30 -2.16 118.68 121.30 1uul s LEU 20 Ca 0.03 0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 54.34 1uul s LEU 20 Cb -0.02 -3.05 -0.06 0.00 0.50 0.00 0.00 46.19 43.57 1uul s LEU 20 CO -0.02 -0.68 0.76 -0.04 -1.32 0.00 0.00 176.35 175.05 1uul s MET 21 N 3.04 3.70 0.31 1.98 -1.94 -0.33 -1.45 119.30 124.61 1uul s MET 21 Ca 0.32 0.37 0.07 0.00 -1.71 0.00 0.00 55.69 54.74 1uul s MET 21 Cb -0.14 -2.40 0.85 0.00 2.01 0.00 0.00 34.83 35.16 1uul s MET 21 CO 0.15 -0.07 1.67 -1.35 -0.01 0.00 0.00 175.02 175.41 1uul h PRO 22 N 0.99 0.33 0.00 2.03 0.11 -1.77 0.39 132.00 134.08 1uul h PRO 22 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1uul h PRO 22 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1uul h PRO 22 CO 0.63 0.22 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 1uul n ASN 23 N -5.08 0.00 0.00 -2.05 6.94 -1.26 -4.60 115.26 109.20 1uul n ASN 23 Ca 0.25 -0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 1uul n ASN 23 Cb 0.78 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1uul n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1uul n GLY 24 N 0.19 0.80 4.01 4.83 0.00 0.14 -5.09 105.19 110.07 1uul n GLY 24 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1uul n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uul s THR 25 N -2.10 2.04 -0.19 2.61 -4.23 -1.25 -4.84 115.64 107.68 1uul s THR 25 Ca 0.00 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1uul s THR 25 Cb 0.00 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1uul s THR 25 CO 0.00 0.00 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.59 1uul s PHE 26 N -3.11 2.84 0.02 3.99 0.08 -1.26 -1.19 117.98 119.36 1uul s PHE 26 Ca 0.67 -1.21 -0.04 0.00 0.12 0.00 0.00 56.93 56.47 1uul s PHE 26 Cb -0.04 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1uul s PHE 26 CO 0.44 -0.61 0.06 0.21 -0.10 0.00 0.00 175.22 175.22 1uul s LYS 27 N 1.21 0.48 0.06 0.44 2.20 -0.92 -4.94 119.74 118.27 1uul s LYS 27 Ca 0.02 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 1uul s LYS 27 Cb -0.14 0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.31 1uul s LYS 27 CO -0.06 -0.11 1.09 0.15 -0.36 0.00 0.00 175.35 176.07 1uul s LYS 28 N -2.04 4.52 -0.13 4.03 -0.14 -1.26 -0.02 119.74 124.70 1uul s LYS 28 Ca -0.10 1.62 -0.00 0.00 -1.36 0.00 0.00 55.97 56.13 1uul s LYS 28 Cb -0.05 -3.38 -0.01 0.00 -1.68 0.00 0.00 37.83 32.71 1uul s LYS 28 CO -0.02 -0.10 -0.13 0.08 -0.76 0.00 0.00 175.35 174.42 1uul s VAL 29 N 0.75 3.05 -0.03 3.17 1.01 0.87 -4.91 120.40 124.31 1uul s VAL 29 Ca 0.54 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1uul s VAL 29 Cb -0.26 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1uul s VAL 29 CO 0.30 0.52 -0.26 0.00 0.00 0.00 0.00 175.10 175.66 1uul s ALA 30 N 0.41 2.17 0.30 5.51 0.00 -1.26 -1.92 121.76 126.97 1uul s ALA 30 Ca -0.10 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.81 1uul s ALA 30 Cb -0.16 -0.58 0.71 0.00 0.00 0.00 0.00 23.12 23.09 1uul s ALA 30 CO 0.05 0.51 1.78 1.25 0.00 0.00 0.00 175.76 179.35 1uul h LEU 31 N 5.60 0.80 -2.57 0.00 5.85 -1.65 0.92 115.31 124.28 1uul h LEU 31 Ca -0.41 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1uul h LEU 31 Cb 1.13 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1uul h LEU 31 CO 0.47 0.30 -0.01 0.71 -0.34 0.00 0.00 178.44 179.58 1uul h THR 32 N 0.79 0.40 0.00 1.05 1.35 -1.96 -1.74 112.91 112.81 1uul h THR 32 Ca 0.57 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 1uul h THR 32 Cb 0.85 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1uul h THR 32 CO -0.37 0.01 0.00 0.28 -0.25 0.00 0.00 175.52 175.19 1uul h SER 33 N 0.00 0.00 -0.34 5.36 0.02 -1.21 -0.79 113.55 116.59 1uul h SER 33 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uul h SER 33 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1uul h SER 33 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1uul n TYR 34 N -2.73 0.43 -1.67 3.45 4.02 -0.65 -4.94 117.16 115.06 1uul n TYR 34 Ca -0.02 -0.21 -0.45 0.00 -0.01 0.00 0.00 57.90 57.21 1uul n TYR 34 Cb 0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.39 1uul n TYR 34 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1uul n LYS 35 N 1.42 2.09 0.00 -0.72 4.81 -0.30 -0.27 118.16 125.19 1uul n LYS 35 Ca 0.19 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1uul n LYS 35 Cb 0.59 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1uul n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uul n GLY 36 N 2.67 3.33 3.75 3.14 0.00 -0.77 -5.06 105.19 112.26 1uul n GLY 36 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1uul n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uul s LYS 37 N -0.74 2.35 0.24 1.61 -0.14 0.62 -4.77 119.74 118.93 1uul s LYS 37 Ca 0.00 -1.61 -0.15 0.00 -1.36 0.00 0.00 55.97 52.85 1uul s LYS 37 Cb 0.00 -2.15 -0.08 0.00 -1.68 0.00 0.00 37.83 33.92 1uul s LYS 37 CO 0.00 0.03 0.66 -1.58 -0.76 0.00 0.00 175.35 173.70 1uul s TRP 38 N -2.47 3.50 -0.03 3.18 0.52 -0.36 -2.86 118.94 120.42 1uul s TRP 38 Ca 0.39 1.17 0.04 0.00 0.02 0.00 0.00 56.10 57.72 1uul s TRP 38 Cb -0.01 -2.47 -0.00 0.00 -1.15 0.00 0.00 33.47 29.83 1uul s TRP 38 CO 0.23 0.26 -0.14 -1.17 0.02 0.00 0.00 176.95 176.15 1uul s LEU 39 N -2.48 1.87 -0.35 2.99 2.96 -0.16 0.33 118.68 123.84 1uul s LEU 39 Ca 0.47 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1uul s LEU 39 Cb -0.13 -0.79 0.05 0.00 0.50 0.00 0.00 46.19 45.82 1uul s LEU 39 CO 0.19 0.12 0.12 -0.69 -1.32 0.00 0.00 176.35 174.77 1uul s VAL 40 N 0.07 3.67 -0.23 1.68 1.01 -0.05 -0.65 120.40 125.91 1uul s VAL 40 Ca -0.03 -1.29 -0.11 0.00 0.00 0.00 0.00 61.98 60.55 1uul s VAL 40 Cb -0.10 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1uul s VAL 40 CO 0.01 -0.25 0.20 -0.22 0.00 0.00 0.00 175.10 174.84 1uul s LEU 41 N 1.36 4.13 -0.00 3.92 2.96 -0.00 -0.86 118.68 130.19 1uul s LEU 41 Ca -0.01 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1uul s LEU 41 Cb -0.20 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 1uul s LEU 41 CO 0.02 0.05 -0.11 0.72 -1.32 0.00 0.00 176.35 175.71 1uul s PHE 42 N 1.03 0.95 0.16 5.38 -0.71 -0.16 -0.46 117.98 124.17 1uul s PHE 42 Ca 0.10 -0.20 0.05 0.00 -1.04 0.00 0.00 56.93 55.83 1uul s PHE 42 Cb -0.13 -0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 41.03 1uul s PHE 42 CO 0.05 -0.01 0.14 -0.06 -1.34 0.00 0.00 175.22 173.99 1uul s PHE 43 N -0.33 3.16 0.05 3.49 0.40 0.49 -1.26 117.98 123.98 1uul s PHE 43 Ca 0.03 -0.01 -0.06 0.00 -0.60 0.00 0.00 56.93 56.30 1uul s PHE 43 Cb -0.04 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.95 1uul s PHE 43 CO -0.00 0.52 0.10 1.52 0.70 0.00 0.00 175.22 178.05 1uul s TYR 44 N -1.73 0.24 -0.00 0.36 -0.85 -0.79 -3.74 117.35 110.84 1uul s TYR 44 Ca 0.31 -0.60 -0.24 0.00 -0.52 0.00 0.00 57.07 56.02 1uul s TYR 44 Cb -0.10 -0.16 -0.15 0.00 0.38 0.00 0.00 41.96 41.92 1uul s TYR 44 CO 0.23 -0.41 1.10 -1.35 -1.52 0.00 0.00 175.55 173.60 1uul h PRO 45 N 3.39 -0.47 -2.56 -3.49 0.11 -1.80 -3.41 132.00 123.77 1uul h PRO 45 Ca -0.33 0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 1uul h PRO 45 Cb 1.18 0.11 -0.23 0.00 0.11 0.00 0.00 31.00 32.16 1uul h PRO 45 CO 0.54 -0.16 -0.15 -1.64 -0.21 0.00 0.00 178.00 176.38 1uul s MET 46 N -4.34 0.56 0.82 1.05 -1.94 -1.26 -4.31 119.30 109.87 1uul s MET 46 Ca -0.13 0.69 -0.11 0.00 -1.71 0.00 0.00 55.69 54.43 1uul s MET 46 Cb 0.02 0.25 0.09 0.00 2.01 0.00 0.00 34.83 37.20 1uul s MET 46 CO 0.48 -0.07 1.12 -0.51 -0.01 0.00 0.00 175.02 176.03 1uul s ASP 47 N 0.36 3.89 -2.00 3.03 1.01 -1.26 -3.32 116.67 118.37 1uul s ASP 47 Ca -0.01 2.01 0.00 0.00 0.71 0.00 0.00 52.55 55.26 1uul s ASP 47 Cb -0.04 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1uul s ASP 47 CO -0.01 -2.45 0.00 0.49 0.21 0.00 0.00 175.17 173.41 1uul n PHE 48 N -3.70 -0.47 0.00 4.23 3.72 -1.26 -4.99 117.46 114.98 1uul n PHE 48 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1uul n PHE 48 Cb 0.52 -3.71 0.00 0.00 -0.94 0.00 0.00 39.48 35.36 1uul n PHE 48 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1uul n THR 49 N -3.17 0.00 0.05 4.37 -2.24 -1.21 -5.13 114.28 106.96 1uul n THR 49 Ca -0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1uul n THR 49 Cb 0.69 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1uul n THR 49 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1uul n PHE 50 N 0.00 -0.27 -0.10 4.78 3.72 -1.26 -4.65 117.46 119.68 1uul n PHE 50 Ca 0.00 0.05 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 1uul n PHE 50 Cb 0.00 0.07 0.13 0.00 -0.94 0.00 0.00 39.48 38.74 1uul n PHE 50 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1uul h VAL 51 N 0.00 1.26 -0.63 -4.37 2.07 -1.94 -3.32 116.25 109.32 1uul h VAL 51 Ca 0.00 -1.16 0.11 0.00 0.82 0.00 0.00 66.70 66.47 1uul h VAL 51 Cb 0.00 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 1uul h VAL 51 CO 0.00 0.40 0.19 0.00 0.02 0.00 0.00 177.57 178.18 1uul h PRO 53 N 0.34 0.72 -0.58 0.00 0.11 -1.83 0.55 132.00 131.32 1uul h PRO 53 Ca 0.33 -0.08 0.03 0.00 0.11 0.00 0.00 66.00 66.38 1uul h PRO 53 Cb 0.47 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 1uul h PRO 53 CO -0.37 0.56 0.39 1.79 -0.21 0.00 0.00 178.00 180.16 1uul h THR 54 N 0.69 1.09 0.19 -1.15 1.35 -1.61 0.23 112.91 113.71 1uul h THR 54 Ca 0.18 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 1uul h THR 54 Cb 0.05 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1uul h THR 54 CO -0.03 0.13 -0.09 -0.33 -0.25 0.00 0.00 175.52 174.95 1uul h GLU 55 N 0.70 -0.25 -0.54 4.72 5.08 -0.94 -2.73 114.58 120.63 1uul h GLU 55 Ca 0.23 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1uul h GLU 55 Cb 0.05 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1uul h GLU 55 CO -0.06 0.15 0.35 0.82 -1.00 0.00 0.00 179.01 179.27 1uul h ILE 56 N -0.86 1.14 -0.16 3.13 2.04 -0.69 -1.43 117.51 120.68 1uul h ILE 56 Ca -0.03 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1uul h ILE 56 Cb 0.52 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1uul h ILE 56 CO 0.04 0.14 0.07 0.00 0.00 0.00 0.00 178.15 178.41 1uul h GLN 58 N 0.16 0.14 -0.80 0.00 1.08 -1.14 0.36 115.11 114.91 1uul h GLN 58 Ca 0.06 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1uul h GLN 58 Cb 0.02 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 1uul h GLN 58 CO -0.05 0.09 0.49 0.74 -0.95 0.00 0.00 178.83 179.16 1uul h PHE 59 N 0.14 1.03 -0.16 2.96 0.04 -0.62 -1.50 116.94 118.82 1uul h PHE 59 Ca 0.19 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1uul h PHE 59 Cb 0.25 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1uul h PHE 59 CO -0.24 0.67 -0.03 1.03 -0.60 0.00 0.00 178.31 179.15 1uul h SER 60 N 1.09 0.31 -0.61 2.17 0.87 0.16 -2.58 113.55 114.95 1uul h SER 60 Ca 0.29 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1uul h SER 60 Cb -0.07 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1uul h SER 60 CO -0.06 0.59 0.37 0.44 -0.53 0.00 0.00 176.83 177.64 1uul h ASP 61 N 0.01 0.75 -0.57 6.23 3.32 0.26 -2.73 116.42 123.69 1uul h ASP 61 Ca 0.04 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1uul h ASP 61 Cb 0.46 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1uul h ASP 61 CO 0.01 0.58 0.03 0.54 -1.72 0.00 0.00 179.24 178.69 1uul n ARG 62 N -4.40 4.65 -0.34 3.56 1.74 -0.62 -4.63 116.66 116.61 1uul n ARG 62 Ca 0.06 -3.14 -0.07 0.00 -0.77 0.00 0.00 57.85 53.93 1uul n ARG 62 Cb 0.08 -2.24 -0.04 0.00 -1.02 0.00 0.00 32.46 29.25 1uul n ARG 62 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1uul h VAL 63 N 3.70 0.02 -1.01 1.55 2.07 -1.13 -0.87 116.25 120.58 1uul h VAL 63 Ca 0.03 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.78 1uul h VAL 63 Cb 1.99 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 31.67 1uul h VAL 63 CO 0.50 0.00 0.62 0.11 0.02 0.00 0.00 177.57 178.82 1uul h LYS 64 N -0.08 0.55 -0.62 1.57 6.56 -1.86 0.57 116.57 123.27 1uul h LYS 64 Ca 0.22 -0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.86 1uul h LYS 64 Cb 0.52 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 32.02 1uul h LYS 64 CO -0.87 0.37 0.41 0.93 -2.06 0.00 0.00 179.45 178.22 1uul h GLU 65 N 0.57 0.50 0.16 3.15 5.08 -1.51 0.45 114.58 122.98 1uul h GLU 65 Ca 0.61 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.68 1uul h GLU 65 Cb 1.22 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 30.37 1uul h GLU 65 CO -0.39 0.33 -1.20 0.74 -1.00 0.00 0.00 179.01 177.49 1uul h PHE 66 N 0.52 0.61 -0.79 4.33 0.04 0.01 -3.37 116.94 118.29 1uul h PHE 66 Ca 0.28 -0.45 -0.04 0.00 2.80 0.00 0.00 57.97 60.56 1uul h PHE 66 Cb 0.42 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 1uul h PHE 66 CO -0.00 1.47 0.32 1.03 -0.60 0.00 0.00 178.31 180.52 1uul h SER 67 N -0.21 1.08 0.28 2.17 0.87 0.01 -1.35 113.55 116.40 1uul h SER 67 Ca -0.23 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1uul h SER 67 Cb 1.82 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1uul h SER 67 CO 0.15 0.95 -0.04 0.44 -0.53 0.00 0.00 176.83 177.80 1uul h ASP 68 N 1.14 0.00 -0.40 6.23 3.32 -0.29 -1.38 116.42 125.04 1uul h ASP 68 Ca 0.26 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1uul h ASP 68 Cb 0.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1uul h ASP 68 CO -0.02 0.04 0.05 2.30 -1.72 0.00 0.00 179.24 179.89 1uul n ILE 69 N -3.43 2.51 -2.12 0.35 -5.35 -0.90 -4.94 119.36 105.48 1uul n ILE 69 Ca -0.02 -1.97 -0.01 0.00 -0.27 0.00 0.00 62.75 60.48 1uul n ILE 69 Cb 0.17 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 1uul n ILE 69 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uul n GLY 70 N -0.50 0.47 2.96 3.28 0.00 -0.52 -4.94 105.19 105.95 1uul n GLY 70 Ca 0.28 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1uul n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uul s GLU 72 N 0.95 3.50 0.02 0.00 0.41 0.15 -2.73 118.70 120.99 1uul s GLU 72 Ca -0.10 -0.35 0.04 0.00 -0.41 0.00 0.00 54.97 54.15 1uul s GLU 72 Cb -0.15 -2.71 -0.02 0.00 -1.78 0.00 0.00 34.13 29.48 1uul s GLU 72 CO 0.00 0.22 -0.13 0.54 -0.49 0.00 0.00 175.26 175.41 1uul s VAL 73 N -2.20 0.99 -0.03 2.63 0.11 -1.26 -0.87 120.40 119.77 1uul s VAL 73 Ca 0.39 -0.79 -0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1uul s VAL 73 Cb -0.10 -0.88 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1uul s VAL 73 CO 0.34 0.09 0.05 -0.22 -3.33 0.00 0.00 175.10 172.02 1uul s LEU 74 N -0.81 0.81 0.41 2.54 2.96 -0.04 -4.47 118.68 120.08 1uul s LEU 74 Ca 0.02 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1uul s LEU 74 Cb -0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 1uul s LEU 74 CO 0.01 -0.16 0.63 0.00 -1.32 0.00 0.00 176.35 175.50 1uul s ALA 75 N 1.36 3.72 -0.24 5.97 0.00 -1.01 -0.99 121.76 130.58 1uul s ALA 75 Ca -0.06 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 1uul s ALA 75 Cb -0.13 -2.14 0.07 0.00 0.00 0.00 0.00 23.12 20.92 1uul s ALA 75 CO -0.03 -0.23 0.70 0.00 0.00 0.00 0.00 175.76 176.20 1uul s SER 77 N 0.17 -0.34 0.51 0.00 0.15 -1.16 -1.88 113.70 111.15 1uul s SER 77 Ca -0.01 -0.40 0.29 0.00 0.70 0.00 0.00 55.95 56.53 1uul s SER 77 Cb -0.04 0.64 1.37 0.00 -1.71 0.00 0.00 66.02 66.27 1uul s SER 77 CO 0.02 -1.13 2.01 -0.03 1.20 0.00 0.00 173.24 175.31 1uul h MET 78 N 2.07 0.00 -7.31 5.44 4.05 -1.78 -0.67 114.93 116.72 1uul h MET 78 Ca -0.27 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.64 1uul h MET 78 Cb 1.27 0.00 0.14 0.00 -0.80 0.00 0.00 31.60 32.21 1uul h MET 78 CO 0.33 0.12 0.31 -0.51 0.23 0.00 0.00 176.91 177.38 1uul s ASP 79 N -6.01 4.31 0.76 1.39 1.01 -1.26 -4.07 116.67 112.79 1uul s ASP 79 Ca -0.01 1.80 -0.12 0.00 0.71 0.00 0.00 52.55 54.93 1uul s ASP 79 Cb 0.12 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.61 1uul s ASP 79 CO 0.58 -2.16 1.11 -0.94 0.21 0.00 0.00 175.17 173.97 1uul s SER 80 N -3.36 4.91 0.25 0.27 1.04 -1.26 -4.16 113.70 111.39 1uul s SER 80 Ca 0.62 1.13 -0.04 0.00 0.48 0.00 0.00 55.95 58.14 1uul s SER 80 Cb -0.18 -1.86 0.35 0.00 0.10 0.00 0.00 66.02 64.44 1uul s SER 80 CO 0.56 -1.69 1.87 1.05 0.98 0.00 0.00 173.24 176.02 1uul h GLU 81 N -0.90 1.06 -0.50 4.02 9.09 -1.92 -0.59 114.58 124.84 1uul h GLU 81 Ca -0.46 -0.06 -0.03 0.00 0.05 0.00 0.00 59.36 58.85 1uul h GLU 81 Cb 1.27 -0.24 -0.02 0.00 -1.65 0.00 0.00 28.75 28.11 1uul h GLU 81 CO 0.63 0.70 0.18 1.88 0.05 0.00 0.00 179.01 182.45 1uul h TYR 82 N 1.10 0.79 -0.25 2.06 -1.99 -1.99 0.13 116.97 116.81 1uul h TYR 82 Ca 0.40 -0.07 0.06 0.00 2.00 0.00 0.00 58.73 61.11 1uul h TYR 82 Cb 0.13 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.58 1uul h TYR 82 CO -0.02 0.66 -0.10 1.03 -0.00 0.00 0.00 178.16 179.74 1uul h SER 83 N 0.68 -0.34 -0.19 3.88 0.87 -1.72 0.17 113.55 116.89 1uul h SER 83 Ca 0.17 0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.87 1uul h SER 83 Cb 0.23 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 1uul h SER 83 CO -0.01 -0.13 -0.25 0.45 -0.53 0.00 0.00 176.83 176.36 1uul h HIS 84 N -0.06 -0.66 -0.30 2.24 3.86 0.00 -1.10 115.15 119.14 1uul h HIS 84 Ca 0.13 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.43 1uul h HIS 84 Cb 0.25 0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.99 1uul h HIS 84 CO -0.29 -0.33 -0.06 1.25 0.86 0.00 0.00 177.93 179.37 1uul h LEU 85 N -0.28 -0.25 -0.58 2.43 5.85 -0.08 0.11 115.31 122.51 1uul h LEU 85 Ca 0.12 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1uul h LEU 85 Cb 0.46 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1uul h LEU 85 CO -0.35 -0.08 0.28 0.00 -0.34 0.00 0.00 178.44 177.94 1uul h ALA 86 N 1.29 0.76 -0.83 1.25 0.00 -0.04 0.11 119.26 121.79 1uul h ALA 86 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1uul h ALA 86 Cb 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1uul h ALA 86 CO -0.29 -0.09 0.47 2.35 0.00 0.00 0.00 179.25 181.69 1uul h TRP 87 N 0.52 1.13 0.00 0.00 7.01 0.12 -0.10 115.95 124.62 1uul h TRP 87 Ca 0.27 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.25 1uul h TRP 87 Cb 0.23 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 1uul h TRP 87 CO -0.12 0.77 0.00 0.00 -2.79 0.00 0.00 178.44 176.31 1uul h THR 88 N 1.16 0.00 0.00 2.65 1.03 0.16 -2.09 112.91 115.83 1uul h THR 88 Ca 0.30 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 66.49 1uul h THR 88 Cb 0.01 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.02 1uul h THR 88 CO -0.05 0.00 -0.53 -1.20 -0.01 0.00 0.00 175.52 173.73 1uul n SER 89 N -2.43 0.53 -4.89 0.00 7.64 -0.05 -3.02 113.62 111.40 1uul n SER 89 Ca 0.01 -0.25 -0.32 0.00 1.01 0.00 0.00 58.87 59.32 1uul n SER 89 Cb 0.18 0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 1uul n SER 89 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uul s ILE 90 N -3.01 5.10 0.26 0.44 1.01 -0.80 -4.93 121.20 119.26 1uul s ILE 90 Ca 0.10 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 1uul s ILE 90 Cb 0.17 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 1uul s ILE 90 CO 0.71 0.02 1.00 -1.61 0.00 0.00 0.00 174.94 175.06 1uul s GLU 91 N -2.66 4.77 0.29 2.79 0.41 -1.26 -2.22 118.70 120.81 1uul s GLU 91 Ca 0.42 1.61 -0.00 0.00 -0.41 0.00 0.00 54.97 56.59 1uul s GLU 91 Cb -0.12 -3.24 0.66 0.00 -1.78 0.00 0.00 34.13 29.65 1uul s GLU 91 CO 0.23 0.40 1.61 -0.09 -0.49 0.00 0.00 175.26 176.92 1uul h ARG 92 N 4.01 0.09 0.00 1.61 2.43 -1.84 0.38 114.38 121.05 1uul h ARG 92 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1uul h ARG 92 Cb 1.20 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1uul h ARG 92 CO 0.68 0.06 0.00 0.36 -1.51 0.00 0.00 179.97 179.55 1uul n LYS 93 N -5.38 0.02 -0.20 0.20 2.85 -1.26 -0.55 118.16 113.85 1uul n LYS 93 Ca 0.20 0.34 0.07 0.00 -1.05 0.00 0.00 58.31 57.87 1uul n LYS 93 Cb 0.66 -1.50 0.16 0.00 -0.65 0.00 0.00 35.03 33.70 1uul n LYS 93 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1uul n ARG 94 N -1.37 2.29 -0.45 -1.58 1.74 0.13 -4.94 116.66 112.48 1uul n ARG 94 Ca 0.01 -2.43 0.00 0.00 -0.77 0.00 0.00 57.85 54.66 1uul n ARG 94 Cb 0.03 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1uul n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uul n GLY 95 N -0.74 0.77 1.98 -0.13 0.00 0.28 -4.95 105.19 102.40 1uul n GLY 95 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1uul n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uul n GLY 96 N -2.40 0.02 0.08 -0.02 0.00 -0.77 -4.86 105.19 97.25 1uul n GLY 96 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 1uul n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uul n LEU 97 N 0.00 0.08 0.00 0.99 4.32 -1.10 -3.95 117.00 117.35 1uul n LEU 97 Ca 0.08 -0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.15 1uul n LEU 97 Cb 0.30 0.36 -0.02 0.00 -1.62 0.00 0.00 43.42 42.44 1uul n LEU 97 CO 0.21 0.41 -0.10 0.61 -1.22 0.00 0.00 177.39 177.29 1uul n GLY 98 N 2.03 -1.58 3.70 -0.72 0.00 -0.94 -4.70 105.19 102.97 1uul n GLY 98 Ca -0.26 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1uul n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uul n GLN 99 N -2.50 2.11 -4.68 1.61 6.02 -1.26 -4.72 117.38 113.97 1uul n GLN 99 Ca 0.00 0.74 -0.31 0.00 -0.01 0.00 0.00 57.00 57.43 1uul n GLN 99 Cb 0.25 -2.36 -0.13 0.00 1.02 0.00 0.00 30.24 29.03 1uul n GLN 99 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1uul s MET 100 N -1.96 2.10 0.00 -1.09 -1.94 -1.26 -5.01 119.30 110.14 1uul s MET 100 Ca 0.56 -0.96 0.21 0.00 -1.71 0.00 0.00 55.69 53.79 1uul s MET 100 Cb -0.55 -2.20 0.53 0.00 2.01 0.00 0.00 34.83 34.62 1uul s MET 100 CO 0.61 0.55 1.45 0.09 -0.01 0.00 0.00 175.02 177.71 1uul n ASN 101 N 1.60 3.65 -4.23 3.03 5.03 -1.26 -4.41 115.26 118.68 1uul n ASN 101 Ca -0.16 -1.98 -0.19 0.00 0.87 0.00 0.00 54.58 53.12 1uul n ASN 101 Cb 0.52 -0.38 -0.12 0.00 -1.02 0.00 0.00 39.78 38.79 1uul n ASN 101 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1uul s ILE 102 N -1.13 1.31 0.65 2.41 -4.36 -1.26 -4.88 121.20 113.94 1uul s ILE 102 Ca 0.42 -1.57 -0.14 0.00 -0.26 0.00 0.00 60.65 59.10 1uul s ILE 102 Cb 0.23 -1.39 -0.00 0.00 1.25 0.00 0.00 42.46 42.54 1uul s ILE 102 CO 0.30 -0.31 1.08 -2.84 0.24 0.00 0.00 174.94 173.41 1uul s PRO 103 N -2.29 2.92 -0.17 0.37 0.02 -1.26 -4.31 135.00 130.28 1uul s PRO 103 Ca 0.05 1.25 -0.01 0.00 0.02 0.00 0.00 61.00 62.32 1uul s PRO 103 Cb -0.07 -1.98 0.04 0.00 0.02 0.00 0.00 34.50 32.52 1uul s PRO 103 CO 0.03 -1.13 -0.04 0.42 -0.33 0.00 0.00 177.00 175.95 1uul s ILE 104 N -2.53 1.04 0.65 2.83 1.01 -0.53 -2.40 121.20 121.27 1uul s ILE 104 Ca 0.64 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 1uul s ILE 104 Cb -0.18 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1uul s ILE 104 CO 0.43 0.07 1.18 -0.76 0.00 0.00 0.00 174.94 175.86 1uul s LEU 105 N 1.66 3.50 -0.48 2.97 1.43 0.10 -1.15 118.68 126.71 1uul s LEU 105 Ca 0.00 2.26 0.04 0.00 -1.03 0.00 0.00 54.13 55.40 1uul s LEU 105 Cb -0.16 -4.58 0.13 0.00 0.03 0.00 0.00 46.19 41.61 1uul s LEU 105 CO -0.07 -1.78 0.23 0.00 0.23 0.00 0.00 176.35 174.95 1uul s ALA 106 N -1.91 3.03 -1.17 4.21 0.00 -0.41 -2.96 121.76 122.55 1uul s ALA 106 Ca 0.73 -3.04 -0.10 0.00 0.00 0.00 0.00 51.96 49.55 1uul s ALA 106 Cb -0.27 -2.08 0.23 0.00 0.00 0.00 0.00 23.12 21.00 1uul s ALA 106 CO 0.38 -1.98 1.40 -0.40 0.00 0.00 0.00 175.76 175.16 1uul n ASP 107 N 3.36 5.48 -0.15 0.00 5.75 -0.26 -4.61 116.55 126.11 1uul n ASP 107 Ca 0.05 -3.08 0.18 0.00 -0.01 0.00 0.00 54.79 51.93 1uul n ASP 107 Cb 0.34 -1.45 0.55 0.00 -1.03 0.00 0.00 41.12 39.53 1uul n ASP 107 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1uul h LYS 108 N 6.53 0.30 0.00 0.11 1.57 -1.81 0.28 116.57 123.55 1uul h LYS 108 Ca 0.27 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1uul h LYS 108 Cb 0.80 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1uul h LYS 108 CO 1.24 0.20 -0.25 1.79 -0.57 0.00 0.00 179.45 181.85 1uul h THR 109 N 0.31 0.43 -0.16 -0.16 1.35 -1.90 -3.47 112.91 109.31 1uul h THR 109 Ca 0.37 -1.61 -0.07 0.00 -0.55 0.00 0.00 66.41 64.55 1uul h THR 109 Cb 0.99 2.21 -0.03 0.00 -1.73 0.00 0.00 68.15 69.60 1uul h THR 109 CO -0.10 0.25 -0.06 0.29 -0.25 0.00 0.00 175.52 175.65 1uul n LYS 110 N -3.16 -0.85 -0.22 4.72 5.02 1.00 -4.91 118.16 119.76 1uul n LYS 110 Ca 0.03 0.44 -0.04 0.00 -2.02 0.00 0.00 58.31 56.72 1uul n LYS 110 Cb 0.63 -4.21 0.12 0.00 -0.02 0.00 0.00 35.03 31.55 1uul n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uul h ILE 112 N 1.00 0.82 -0.29 0.00 2.04 -1.90 0.04 117.51 119.22 1uul h ILE 112 Ca 0.22 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1uul h ILE 112 Cb 0.26 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1uul h ILE 112 CO -0.01 0.10 0.19 0.00 0.00 0.00 0.00 178.15 178.43 1uul h MET 113 N -0.56 0.36 -0.39 2.37 -0.00 -1.92 0.01 114.93 114.79 1uul h MET 113 Ca -0.03 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.62 1uul h MET 113 Cb 0.41 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 31.91 1uul h MET 113 CO 0.05 0.24 0.14 0.87 -0.00 0.00 0.00 176.91 178.21 1uul h LYS 114 N 0.37 0.60 -0.94 -0.10 1.57 -0.99 -1.72 116.57 115.36 1uul h LYS 114 Ca 0.11 -0.12 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 1uul h LYS 114 Cb -0.02 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.11 1uul h LYS 114 CO -0.02 0.58 0.55 0.77 -0.57 0.00 0.00 179.45 180.76 1uul h SER 115 N 0.49 0.75 -0.11 0.86 0.02 0.87 -0.51 113.55 115.91 1uul h SER 115 Ca 0.13 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1uul h SER 115 Cb 0.22 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1uul h SER 115 CO -0.01 0.35 0.00 -1.22 -1.14 0.00 0.00 176.83 174.82 1uul n TYR 116 N -4.74 0.14 -2.93 3.45 4.02 -0.56 -2.84 117.16 113.70 1uul n TYR 116 Ca 0.19 -0.07 -0.19 0.00 -0.01 0.00 0.00 57.90 57.82 1uul n TYR 116 Cb 0.42 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.77 1uul n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uul n GLY 117 N 1.15 -0.35 0.56 2.72 0.00 -0.20 -4.76 105.19 104.30 1uul n GLY 117 Ca 0.17 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1uul n GLY 117 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uul n VAL 118 N -4.36 1.73 -3.10 1.61 0.24 -0.89 -4.73 118.33 108.84 1uul n VAL 118 Ca -0.10 -2.52 -0.39 0.00 -2.04 0.00 0.00 64.34 59.29 1uul n VAL 118 Cb 0.60 -0.05 -0.05 0.00 -1.47 0.00 0.00 33.84 32.87 1uul n VAL 118 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1uul s LEU 119 N -2.57 4.47 -0.58 1.34 0.20 -1.24 -0.67 118.68 119.63 1uul s LEU 119 Ca 0.34 1.35 -0.16 0.00 0.69 0.00 0.00 54.13 56.35 1uul s LEU 119 Cb 0.33 -3.09 0.14 0.00 -0.43 0.00 0.00 46.19 43.14 1uul s LEU 119 CO -0.05 0.10 0.53 -1.59 -0.29 0.00 0.00 176.35 175.05 1uul s LYS 120 N -0.37 3.06 0.42 1.98 -2.85 0.83 -4.89 119.74 117.92 1uul s LYS 120 Ca 0.34 -1.81 0.19 0.00 -1.00 0.00 0.00 55.97 53.69 1uul s LYS 120 Cb -0.20 -4.31 1.13 0.00 -2.06 0.00 0.00 37.83 32.39 1uul s LYS 120 CO 0.21 -1.32 1.80 0.93 0.10 0.00 0.00 175.35 177.07 1uul h GLU 121 N 8.73 0.36 0.00 1.78 4.39 -1.95 0.71 114.58 128.60 1uul h GLU 121 Ca -0.24 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 1uul h GLU 121 Cb 1.09 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1uul h GLU 121 CO 1.00 0.24 -0.22 1.05 -1.16 0.00 0.00 179.01 179.92 1uul h GLU 122 N 0.37 0.00 0.00 2.33 4.11 -1.96 -3.29 114.58 116.15 1uul h GLU 122 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 1uul h GLU 122 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1uul h GLU 122 CO -0.23 0.22 -1.05 -0.25 0.07 0.00 0.00 179.01 177.77 1uul n ASP 123 N -3.99 2.91 0.00 3.06 8.00 0.06 -5.01 116.55 121.57 1uul n ASP 123 Ca -0.02 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1uul n ASP 123 Cb 0.30 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 1uul n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uul n GLY 124 N 1.94 0.60 3.51 0.44 0.00 -0.14 -5.04 105.19 106.49 1uul n GLY 124 Ca -0.01 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1uul n GLY 124 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uul s VAL 125 N -2.00 1.30 0.05 1.61 -7.23 -1.24 -4.89 120.40 108.00 1uul s VAL 125 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1uul s VAL 125 Cb 0.00 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 1uul s VAL 125 CO 0.00 0.00 0.29 0.00 -0.31 0.00 0.00 175.10 175.08 1uul s ALA 126 N -3.15 3.85 1.01 1.32 0.00 -1.26 -0.12 121.76 123.42 1uul s ALA 126 Ca 0.33 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 1uul s ALA 126 Cb 0.08 -2.05 0.20 0.00 0.00 0.00 0.00 23.12 21.34 1uul s ALA 126 CO 0.15 0.68 1.15 0.71 0.00 0.00 0.00 175.76 178.45 1uul s TYR 127 N -1.41 1.77 -1.46 0.00 4.12 0.16 -2.93 117.35 117.59 1uul s TYR 127 Ca 0.32 0.70 -0.14 0.00 0.02 0.00 0.00 57.07 57.97 1uul s TYR 127 Cb -0.13 -3.50 0.01 0.00 -1.52 0.00 0.00 41.96 36.82 1uul s TYR 127 CO 0.20 -2.91 2.35 0.54 0.02 0.00 0.00 175.55 175.75 1uul n ARG 128 N -4.10 2.95 -3.18 -0.62 1.74 -0.87 -4.30 116.66 108.27 1uul n ARG 128 Ca 0.09 -2.49 -0.36 0.00 -0.77 0.00 0.00 57.85 54.32 1uul n ARG 128 Cb 0.59 -3.18 -0.06 0.00 -1.02 0.00 0.00 32.46 28.79 1uul n ARG 128 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1uul s GLY 129 N 3.09 2.58 -0.02 -0.13 0.00 -1.25 -1.75 107.32 109.84 1uul s GLY 129 Ca 0.51 0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.32 1uul s GLY 129 CO -0.08 0.42 -0.04 -2.27 0.00 0.00 0.00 173.10 171.13 1uul s LEU 130 N -1.90 1.70 0.00 0.66 0.20 0.22 -0.38 118.68 119.19 1uul s LEU 130 Ca 0.40 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 55.17 1uul s LEU 130 Cb -0.16 -0.29 -0.01 0.00 -0.43 0.00 0.00 46.19 45.29 1uul s LEU 130 CO 0.20 0.01 -0.09 -0.36 -0.29 0.00 0.00 176.35 175.82 1uul s PHE 131 N 0.32 0.79 -0.36 5.38 0.40 0.39 -1.15 117.98 123.75 1uul s PHE 131 Ca -0.03 -0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1uul s PHE 131 Cb -0.07 -0.50 0.05 0.00 0.51 0.00 0.00 43.02 43.01 1uul s PHE 131 CO -0.00 -0.01 0.13 0.42 0.70 0.00 0.00 175.22 176.45 1uul s ILE 132 N -0.38 3.73 0.03 0.64 1.01 -0.93 -0.82 121.20 124.48 1uul s ILE 132 Ca 0.02 -1.30 -0.15 0.00 0.00 0.00 0.00 60.65 59.22 1uul s ILE 132 Cb -0.04 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.18 1uul s ILE 132 CO -0.00 -0.28 0.44 -0.63 0.00 0.00 0.00 174.94 174.47 1uul s ILE 133 N 1.36 4.97 0.48 2.92 -1.09 0.17 -1.14 121.20 128.88 1uul s ILE 133 Ca -0.00 0.86 0.09 0.00 -2.23 0.00 0.00 60.65 59.37 1uul s ILE 133 Cb -0.20 -3.74 0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1uul s ILE 133 CO 0.02 0.52 0.64 1.51 -1.23 0.00 0.00 174.94 176.40 1uul s ASP 134 N -1.20 5.42 0.52 3.58 1.47 -0.63 -0.99 116.67 124.85 1uul s ASP 134 Ca 0.26 -0.60 0.35 0.00 1.18 0.00 0.00 52.55 53.75 1uul s ASP 134 Cb -0.17 -0.29 1.50 0.00 -0.34 0.00 0.00 42.92 43.62 1uul s ASP 134 CO 0.15 -0.98 1.77 -0.65 0.68 0.00 0.00 175.17 176.14 1uul h PRO 135 N 0.48 0.06 -0.40 2.11 0.11 -1.83 0.87 132.00 133.41 1uul h PRO 135 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1uul h PRO 135 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1uul h PRO 135 CO 0.44 0.04 0.00 1.63 -0.21 0.00 0.00 178.00 179.90 1uul n LYS 136 N -4.25 1.92 -1.77 1.05 5.02 -1.26 -1.85 118.16 117.03 1uul n LYS 136 Ca 0.28 -1.34 -0.12 0.00 -2.02 0.00 0.00 58.31 55.11 1uul n LYS 136 Cb 1.28 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 34.93 1uul n LYS 136 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1uul n GLN 137 N 0.56 -0.87 -3.76 1.97 1.13 0.30 -4.96 117.38 111.75 1uul n GLN 137 Ca 0.12 0.74 -0.33 0.00 -1.94 0.00 0.00 57.00 55.60 1uul n GLN 137 Cb 0.34 -4.81 -0.05 0.00 0.11 0.00 0.00 30.24 25.83 1uul n GLN 137 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1uul s ASN 138 N -2.68 6.47 0.01 1.08 0.01 -1.25 -0.34 114.94 118.23 1uul s ASN 138 Ca 0.00 0.51 -0.30 0.00 -0.71 0.00 0.00 52.86 52.36 1uul s ASN 138 Cb 0.00 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 1uul s ASN 138 CO 0.00 0.16 1.05 -0.22 -1.51 0.00 0.00 177.10 176.58 1uul s LEU 139 N -2.25 4.36 0.00 0.60 2.96 -0.47 -1.60 118.68 122.28 1uul s LEU 139 Ca 0.34 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 1uul s LEU 139 Cb -0.13 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1uul s LEU 139 CO 0.22 -0.34 0.00 0.54 -1.32 0.00 0.00 176.35 175.45 1uul n ARG 140 N 4.00 4.80 -3.69 1.98 5.12 -0.29 0.20 116.66 128.79 1uul n ARG 140 Ca 0.07 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.88 1uul n ARG 140 Cb 0.49 -0.61 -0.09 0.00 -1.16 0.00 0.00 32.46 31.09 1uul n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1uul s GLN 141 N -1.20 0.55 -0.04 5.56 -0.44 -1.22 -4.95 119.66 117.92 1uul s GLN 141 Ca 0.00 0.84 0.06 0.00 -2.50 0.00 0.00 55.36 53.75 1uul s GLN 141 Cb 0.00 0.15 -0.01 0.00 -1.64 0.00 0.00 33.01 31.51 1uul s GLN 141 CO 0.00 -0.12 -0.21 0.42 0.50 0.00 0.00 175.29 175.88 1uul s ILE 142 N 0.94 1.71 -0.10 -2.34 1.01 -1.26 -2.18 121.20 118.97 1uul s ILE 142 Ca -0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1uul s ILE 142 Cb -0.06 -1.44 0.05 0.00 0.01 0.00 0.00 42.46 41.02 1uul s ILE 142 CO -0.08 0.48 0.20 -0.89 0.00 0.00 0.00 174.94 174.65 1uul s THR 143 N -0.17 -0.31 -0.10 2.92 2.01 -0.30 -5.00 115.64 114.69 1uul s THR 143 Ca -0.01 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 1uul s THR 143 Cb -0.11 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1uul s THR 143 CO 0.02 0.14 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.34 1uul s VAL 144 N 2.32 0.88 -0.02 3.82 1.01 -1.26 0.69 120.40 127.84 1uul s VAL 144 Ca 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1uul s VAL 144 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1uul s VAL 144 CO -0.07 0.34 0.07 0.20 0.00 0.00 0.00 175.10 175.65 1uul s ASN 145 N 1.72 5.65 1.00 3.32 -0.87 -0.72 -4.95 114.94 120.10 1uul s ASN 145 Ca 0.04 0.16 -0.11 0.00 -1.57 0.00 0.00 52.86 51.38 1uul s ASN 145 Cb -0.13 -1.63 0.19 0.00 -0.02 0.00 0.00 41.25 39.67 1uul s ASN 145 CO -0.07 0.29 1.09 -0.62 -2.57 0.00 0.00 177.10 175.22 1uul s ASP 146 N -1.59 2.33 0.12 -1.22 2.15 -1.26 -2.05 116.67 115.15 1uul s ASP 146 Ca 0.21 1.79 -0.21 0.00 0.43 0.00 0.00 52.55 54.78 1uul s ASP 146 Cb -0.12 -2.39 -0.06 0.00 -0.30 0.00 0.00 42.92 40.05 1uul s ASP 146 CO 0.12 -3.41 1.72 -0.07 -0.17 0.00 0.00 175.17 173.36 1uul h LEU 147 N -2.08 -0.12 -1.91 -1.34 3.38 -1.97 -3.11 115.31 108.16 1uul h LEU 147 Ca -0.51 0.04 0.19 0.00 0.09 0.00 0.00 57.88 57.69 1uul h LEU 147 Cb 1.29 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1uul h LEU 147 CO 0.48 -0.04 0.59 -0.65 0.09 0.00 0.00 178.44 178.90 1uul h PRO 148 N 0.01 0.00 -5.10 1.13 0.11 -2.04 -3.43 132.00 122.68 1uul h PRO 148 Ca 0.07 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.52 1uul h PRO 148 Cb 0.11 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 30.92 1uul h PRO 148 CO -0.15 0.00 -0.77 0.08 -0.21 0.00 0.00 178.00 176.95 1uul s VAL 149 N -4.74 2.95 0.75 3.15 1.01 -1.18 -5.00 120.40 117.36 1uul s VAL 149 Ca -0.04 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 1uul s VAL 149 Cb 0.18 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.31 1uul s VAL 149 CO 0.63 0.48 1.09 -0.83 0.00 0.00 0.00 175.10 176.46 1uul s GLY 150 N 1.11 1.64 0.60 4.51 0.00 -1.26 -4.69 107.32 109.21 1uul s GLY 150 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 1uul s GLY 150 CO -0.03 0.22 0.82 0.54 0.00 0.00 0.00 173.10 174.65 1uul n ARG 151 N -3.27 -0.13 -3.96 2.90 1.74 -1.26 -5.08 116.66 107.60 1uul n ARG 151 Ca 0.07 -2.01 -0.30 0.00 -0.77 0.00 0.00 57.85 54.84 1uul n ARG 151 Cb 0.56 -0.61 -0.16 0.00 -1.02 0.00 0.00 32.46 31.23 1uul n ARG 151 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1uul s ASP 152 N -4.24 3.59 0.36 0.55 2.15 -1.26 -4.99 116.67 112.82 1uul s ASP 152 Ca 0.52 -1.02 0.04 0.00 0.43 0.00 0.00 52.55 52.53 1uul s ASP 152 Cb -0.03 -1.19 0.70 0.00 -0.30 0.00 0.00 42.92 42.10 1uul s ASP 152 CO 0.35 -0.19 1.98 0.58 -0.17 0.00 0.00 175.17 177.72 1uul h VAL 153 N 6.53 1.08 -0.27 1.11 2.07 -1.98 -1.32 116.25 123.49 1uul h VAL 153 Ca -0.23 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1uul h VAL 153 Cb 1.08 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1uul h VAL 153 CO 0.44 0.15 -0.04 0.44 0.02 0.00 0.00 177.57 178.57 1uul h ASP 154 N 0.80 0.39 0.00 0.57 3.32 -1.99 -1.82 116.42 117.69 1uul h ASP 154 Ca 0.28 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 1uul h ASP 154 Cb 0.10 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1uul h ASP 154 CO -0.08 0.49 -0.45 -0.08 -1.72 0.00 0.00 179.24 177.40 1uul h GLU 155 N 0.40 0.53 -0.43 3.56 4.57 -1.67 0.20 114.58 121.74 1uul h GLU 155 Ca 0.09 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1uul h GLU 155 Cb 0.33 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1uul h GLU 155 CO 0.01 0.87 0.24 0.00 -1.18 0.00 0.00 179.01 178.95 1uul h ALA 156 N 1.08 0.55 -0.13 2.92 0.00 -1.07 -0.28 119.26 122.34 1uul h ALA 156 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uul h ALA 156 Cb 0.95 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1uul h ALA 156 CO 0.08 0.07 0.07 1.25 0.00 0.00 0.00 179.25 180.73 1uul h LEU 157 N 0.56 0.16 -0.78 0.00 6.46 -0.94 -0.12 115.31 120.66 1uul h LEU 157 Ca 0.15 -0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1uul h LEU 157 Cb 0.05 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.88 1uul h LEU 157 CO -0.02 0.19 0.47 -0.09 -0.62 0.00 0.00 178.44 178.36 1uul h ARG 158 N 0.12 0.83 -0.45 1.25 2.43 -0.30 -1.35 114.38 116.91 1uul h ARG 158 Ca 0.05 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1uul h ARG 158 Cb 0.06 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1uul h ARG 158 CO -0.01 0.55 0.10 -0.07 -1.51 0.00 0.00 179.97 179.03 1uul h LEU 159 N 0.85 0.69 -0.67 3.80 3.38 -0.01 -0.72 115.31 122.64 1uul h LEU 159 Ca 0.34 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1uul h LEU 159 Cb 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1uul h LEU 159 CO -0.17 0.75 0.26 0.58 0.09 0.00 0.00 178.44 179.95 1uul h VAL 160 N 0.59 1.24 -0.74 1.22 2.07 -0.62 -0.15 116.25 119.87 1uul h VAL 160 Ca 0.14 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1uul h VAL 160 Cb 0.34 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1uul h VAL 160 CO 0.00 0.30 0.30 0.11 0.02 0.00 0.00 177.57 178.30 1uul h LYS 161 N 0.94 1.11 -0.42 1.57 1.57 -0.91 0.87 116.57 121.29 1uul h LYS 161 Ca 0.22 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1uul h LYS 161 Cb 0.22 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1uul h LYS 161 CO -0.02 0.90 0.14 0.00 -0.57 0.00 0.00 179.45 179.91 1uul h ALA 162 N 1.15 0.55 -0.46 3.86 0.00 -0.50 0.22 119.26 124.08 1uul h ALA 162 Ca 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1uul h ALA 162 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1uul h ALA 162 CO -0.02 0.19 0.06 0.74 0.00 0.00 0.00 179.25 180.22 1uul h PHE 163 N 0.54 0.74 -0.56 0.00 -1.00 -0.47 -0.40 116.94 115.79 1uul h PHE 163 Ca 0.14 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.76 1uul h PHE 163 Cb 0.25 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 1uul h PHE 163 CO 0.01 0.66 0.02 1.96 -1.61 0.00 0.00 178.31 179.35 1uul h GLN 164 N 0.68 0.95 -0.63 1.51 4.20 0.01 -1.51 115.11 120.33 1uul h GLN 164 Ca 0.15 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1uul h GLN 164 Cb 0.33 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1uul h GLN 164 CO 0.01 0.93 0.17 0.35 -0.67 0.00 0.00 178.83 179.61 1uul h PHE 165 N 0.88 1.05 -0.27 2.96 3.04 0.26 -2.66 116.94 122.20 1uul h PHE 165 Ca 0.17 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 1uul h PHE 165 Cb 0.49 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1uul h PHE 165 CO 0.03 0.87 -0.03 0.28 -2.02 0.00 0.00 178.31 177.44 1uul h VAL 166 N 0.92 1.27 0.00 1.41 2.07 -0.79 -2.63 116.25 118.50 1uul h VAL 166 Ca 0.20 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1uul h VAL 166 Cb 0.34 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1uul h VAL 166 CO -0.00 0.32 0.00 -0.62 0.02 0.00 0.00 177.57 177.29 1uul n GLU 167 N -4.56 0.62 -0.02 1.57 1.02 -0.59 -2.07 120.64 116.60 1uul n GLU 167 Ca -0.03 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.12 1uul n GLU 167 Cb 0.28 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 1uul n GLU 167 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uul n LYS 168 N -0.98 1.18 0.00 3.49 5.02 -1.03 -4.77 118.16 121.06 1uul n LYS 168 Ca 0.14 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1uul n LYS 168 Cb 0.07 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1uul n LYS 168 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1uul n HIS 169 N -2.03 0.00 -0.80 2.13 8.25 -1.02 -4.98 115.22 116.77 1uul n HIS 169 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1uul n HIS 169 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1uul n HIS 169 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uul n GLY 170 N 0.47 0.64 3.92 -1.41 0.00 -0.88 -4.97 105.19 102.96 1uul n GLY 170 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1uul n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uul s GLU 171 N -0.37 3.55 0.02 1.61 2.02 -1.26 -4.57 118.70 119.69 1uul s GLU 171 Ca 0.00 -0.07 -0.00 0.00 0.02 0.00 0.00 54.97 54.91 1uul s GLU 171 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1uul s GLU 171 CO 0.00 0.06 0.12 0.54 0.02 0.00 0.00 175.26 175.99 1uul s VAL 172 N -2.38 4.91 -0.35 2.63 0.11 0.12 -4.43 120.40 121.01 1uul s VAL 172 Ca 0.43 -0.42 -0.15 0.00 -2.93 0.00 0.00 61.98 58.92 1uul s VAL 172 Cb -0.10 -3.29 -0.01 0.00 -1.53 0.00 0.00 36.38 31.45 1uul s VAL 172 CO 0.37 0.28 0.32 0.00 -3.33 0.00 0.00 175.10 172.74 1uul n PRO 174 N 5.29 -4.42 -2.08 0.00 -0.02 -1.26 -4.88 135.00 127.64 1uul n PRO 174 Ca -0.10 -1.33 -0.41 0.00 -2.02 0.00 0.00 63.50 59.64 1uul n PRO 174 Cb 0.49 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 1uul n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uul s ALA 175 N -2.10 3.51 0.00 3.55 0.00 -1.26 -2.91 121.76 122.55 1uul s ALA 175 Ca 0.61 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1uul s ALA 175 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1uul s ALA 175 CO 0.51 -0.69 0.00 0.09 0.00 0.00 0.00 175.76 175.67 1uul n ASN 176 N 0.80 -3.98 -4.52 0.00 3.02 -1.26 -4.91 115.26 104.39 1uul n ASN 176 Ca 0.00 0.00 -0.58 0.00 -0.03 0.00 0.00 54.58 53.97 1uul n ASN 176 Cb 0.41 -2.33 -0.08 0.00 -0.61 0.00 0.00 39.78 37.18 1uul n ASN 176 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1uul n TRP 177 N -2.27 0.84 -4.27 3.10 -0.00 -1.15 -4.99 117.44 108.70 1uul n TRP 177 Ca 0.00 0.98 -0.20 0.00 -0.00 0.00 0.00 57.50 58.27 1uul n TRP 177 Cb 0.27 -2.14 -0.11 0.00 -0.00 0.00 0.00 31.31 29.32 1uul n TRP 177 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 1uul s LYS 178 N 0.17 1.10 0.14 5.87 -2.85 -1.26 -5.01 119.74 117.90 1uul s LYS 178 Ca 0.90 -1.25 -0.34 0.00 -1.00 0.00 0.00 55.97 54.27 1uul s LYS 178 Cb -1.21 -1.12 -0.16 0.00 -2.06 0.00 0.00 37.83 33.28 1uul s LYS 178 CO 0.56 0.23 1.24 -2.30 0.10 0.00 0.00 175.35 175.18 1uul n PRO 179 N 0.62 1.16 0.00 1.78 -0.02 -1.26 -1.44 135.00 135.85 1uul n PRO 179 Ca -0.16 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1uul n PRO 179 Cb 0.56 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1uul n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uul n GLY 180 N 2.23 1.74 3.76 -1.23 0.00 -1.26 -5.06 105.19 105.37 1uul n GLY 180 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1uul n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uul s ASP 181 N -1.52 3.84 -0.29 1.61 1.01 -0.52 -4.99 116.67 115.81 1uul s ASP 181 Ca 0.00 1.30 -0.29 0.00 0.71 0.00 0.00 52.55 54.27 1uul s ASP 181 Cb 0.00 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 41.95 1uul s ASP 181 CO 0.00 -2.38 1.08 -0.54 0.21 0.00 0.00 175.17 173.54 1uul s LYS 182 N -5.08 4.12 0.45 8.23 1.02 -1.26 -4.99 119.74 122.23 1uul s LYS 182 Ca 0.62 1.17 0.08 0.00 0.02 0.00 0.00 55.97 57.87 1uul s LYS 182 Cb -0.16 -3.72 0.02 0.00 -0.52 0.00 0.00 37.83 33.45 1uul s LYS 182 CO 0.55 -0.83 0.57 0.95 -0.92 0.00 0.00 175.35 175.67 1uul s THR 183 N 3.55 2.73 0.26 2.17 -4.23 -1.26 -4.67 115.64 114.19 1uul s THR 183 Ca 0.46 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1uul s THR 183 Cb -0.13 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 1uul s THR 183 CO 0.13 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.32 1uul s MET 184 N -4.37 1.41 -0.13 3.99 0.23 -1.04 -4.95 119.30 114.43 1uul s MET 184 Ca 0.54 -1.77 -0.10 0.00 -1.03 0.00 0.00 55.69 53.33 1uul s MET 184 Cb -0.08 -0.19 -0.05 0.00 -1.53 0.00 0.00 34.83 32.99 1uul s MET 184 CO 0.33 -0.32 0.21 0.15 -2.03 0.00 0.00 175.02 173.35 1uul s LYS 185 N -4.02 3.90 0.00 3.16 -0.14 -1.26 0.13 119.74 121.50 1uul s LYS 185 Ca 0.38 -0.02 -0.01 0.00 -1.36 0.00 0.00 55.97 54.95 1uul s LYS 185 Cb 0.07 -3.31 -0.07 0.00 -1.68 0.00 0.00 37.83 32.85 1uul s LYS 185 CO 0.14 0.51 1.44 -2.30 -0.76 0.00 0.00 175.35 174.38 1uul n PRO 186 N 2.74 0.69 -4.25 -1.68 -0.02 -1.26 -4.19 135.00 127.04 1uul n PRO 186 Ca -0.16 -0.24 -0.17 0.00 -2.02 0.00 0.00 63.50 60.91 1uul n PRO 186 Cb 0.53 -1.52 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 1uul n PRO 186 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1uul s ASP 187 N 2.30 0.93 0.08 2.55 -1.08 -1.26 -5.08 116.67 115.11 1uul s ASP 187 Ca 0.16 -0.22 -0.26 0.00 -0.52 0.00 0.00 52.55 51.71 1uul s ASP 187 Cb 0.08 -0.08 -0.10 0.00 -1.46 0.00 0.00 42.92 41.36 1uul s ASP 187 CO 0.00 0.04 1.41 -0.65 0.52 0.00 0.00 175.17 176.49 1uul h PRO 188 N 5.65 -0.48 0.02 4.34 0.11 -1.99 -2.30 132.00 137.34 1uul h PRO 188 Ca -0.31 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1uul h PRO 188 Cb 1.19 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1uul h PRO 188 CO 0.48 -0.32 -0.01 0.93 -0.21 0.00 0.00 178.00 178.87 1uul h GLU 189 N -0.50 -0.03 0.00 1.05 4.39 -1.98 -3.04 114.58 114.48 1uul h GLU 189 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1uul h GLU 189 Cb 0.54 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1uul h GLU 189 CO -0.27 -0.02 0.08 1.17 -1.16 0.00 0.00 179.01 178.81 1uul n LYS 190 N -2.21 0.00 0.00 2.33 4.81 -1.24 0.58 118.16 122.43 1uul n LYS 190 Ca -0.00 0.10 0.10 0.00 -0.87 0.00 0.00 58.31 57.64 1uul n LYS 190 Cb 0.01 -1.58 -0.10 0.00 0.02 0.00 0.00 35.03 33.38 1uul n LYS 190 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1uul n SER 191 N -0.95 0.73 0.30 3.14 3.41 -0.87 -4.35 113.62 115.03 1uul n SER 191 Ca 0.00 -0.68 0.16 0.00 -0.26 0.00 0.00 58.87 58.09 1uul n SER 191 Cb 0.08 1.16 0.92 0.00 -0.26 0.00 0.00 64.21 66.11 1uul n SER 191 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1uul h LYS 192 N 0.00 0.00 0.00 4.33 1.79 0.05 -1.06 116.57 121.69 1uul h LYS 192 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1uul h LYS 192 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1uul h LYS 192 CO 0.00 0.02 0.00 0.39 -1.08 0.00 0.00 179.45 178.78 1uul n GLU 193 N -3.69 0.02 -0.04 3.15 1.02 -1.26 -2.45 120.64 117.38 1uul n GLU 193 Ca -0.03 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 1uul n GLU 193 Cb 0.11 -1.53 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 1uul n GLU 193 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1uul n TYR 194 N -1.57 0.75 0.39 -0.32 9.36 -0.40 -4.10 117.16 121.26 1uul n TYR 194 Ca 0.05 0.22 0.14 0.00 3.32 0.00 0.00 57.90 61.63 1uul n TYR 194 Cb 0.26 -1.12 0.46 0.00 -0.63 0.00 0.00 39.34 38.30 1uul n TYR 194 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1uul h PHE 195 N 0.02 0.00 0.00 2.98 0.04 -1.50 -3.19 116.94 115.28 1uul h PHE 195 Ca -0.41 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 59.70 1uul h PHE 195 Cb 2.06 0.00 0.03 0.00 2.20 0.00 0.00 35.95 40.24 1uul h PHE 195 CO 0.02 0.00 2.49 0.41 -0.60 0.00 0.00 178.31 180.64 1uul n GLY 196 N 0.56 2.99 0.00 -1.45 0.00 -1.03 -5.13 105.19 101.14 1uul n GLY 196 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32